N4-[2-(4-pyrazol-1-ylphenyl)ethyl]benzene-1,4-disulfonamide

Systemtic Name: N4-[2-(4-pyrazol-1-ylphenyl)ethyl]benzene-1,4-disulfonamide Openeye Name: N4-[2-(4-pyrazol-1-ylphenyl)ethyl]benzene-1,4-disulfonamide CAS Name: N4-[2-[4-(1-pyrazolyl)phenyl]ethyl]benzene-1,4-disulfonamide IUPAC Name: 4-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzene-1,4-disulfonamide Traditional Name: N'-[2-(4-pyrazol-1-ylphenyl)ethyl]benzene-1,4-disulfonamide Formula: C17H18N4O4S2 MolecularWeight: 406.47922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CCNS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CCNS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H18N4O4S2/c18-26(22,23)16-6-8-17(9-7-16)27(24,25)20-12-10-14-2-4-15(5-3-14)21-13-1-11-19-21/h1-9,11,13,20H,10,12H2,(H2,18,22,23)